1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide

C19H30N2O5S — CID 113005630

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C19H30N2O5S/c1-4-5-6-11-20-19(22)15-9-12-21(13-10-15)27(23,24)18-14-16(25-2)7-8-17(18)26-3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,20,22)
InChIKeyRRDFZWIDLNFVAL-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.41
Rot. Bonds9

About 1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide

1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide (PubChem CID 113005630) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
PubChem CID113005630
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
InChIInChI=1S/C19H30N2O5S/c1-4-5-6-11-20-19(22)15-9-12-21(13-10-15)27(23,24)18-14-16(25-2)7-8-17(18)26-3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,20,22)
InChIKeyRRDFZWIDLNFVAL-UHFFFAOYSA-N
XLogP2.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-1-(2,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002717
N-butyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2188546
N-cyclopropyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1093344
1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 709843
1-(2,5-dimethoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874841
4-methoxy-N-pentyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 40742279
1-(2,4-dimethylphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide
CID 27659808
1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239
methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 43007840
(3S)-1-(2,5-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 7453392
1-(2,5-dimethoxyphenyl)sulfonyl-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 2982195
N-(2-methoxyethyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003254

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide (CID 113005630) is 1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide?
The InChIKey is RRDFZWIDLNFVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-4-5-6-11-20-19(22)15-9-12-21(13-10-15)27(23,24)18-14-16(25-2)7-8-17(18)26-3/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,20,22).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide?
1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 113005630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).